Information card for entry 4312173

Structure parameters

• Formula: C20 H52 N12 O20
• Calculated formula: C20 H52 N12 O20
• Title of publication: Synthesis, Structure, and Complexation of a Large 28-mer Macrocycle Containing Two Binding Sites for Either Anions or Metal Ions
• Authors of publication: Leroy Cronin; Pamela A. McGregor; Simon Parsons; Simon Teat; Robert O. Gould; Vivienne A. White; Nicholas J. Long; Neil Robertson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8023 - 8029
• a: 11.596 ± 0.003 Å
• b: 11.803 ± 0.006 Å
• c: 14.575 ± 0.007 Å
• α: 89.86 ± 0.05°
• β: 83.68 ± 0.05°
• γ: 64.05 ± 0.04°
• Cell volume: 1780.5 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1996
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.344
• Weighted residual factors for all reflections included in the refinement: 0.3664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.6884 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No